General Information of the Compound
| Compound ID |
CP0551423
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| Compound Name |
[5-[[5-fluoro-2-(3-methylsulfonyl-5-morpholin-4-ylanilino)pyrimidin-4-yl]-methylamino]-2,4-dimethylphenyl]methanol
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| Structure |
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| Formula |
C25H30FN5O4S
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| Molecular Weight |
515.611
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| Canonical SMILES |
CN(c1cc(CO)c(C)cc1C)c1nc(Nc2cc(cc(c2)S(C)(=O)=O)N2CCOCC2)ncc1F
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| InChI |
InChI=1S/C25H30FN5O4S/c1-16-9-17(2)23(10-18(16)15-32)30(3)24-22(26)14-27-25(29-24)28-19-11-20(31-5-7-35-8-6-31)13-21(12-19)36(4,33)34/h9-14,32H,5-8,15H2,1-4H3,(H,27,28,29)
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| InChIKey |
BKHJHXMKWIXRTE-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound